Somatostatin 25-(1-9)
Basic information
- CAS
94152-60-0- Standard SMILES
CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O- InChIKey
GEQGEVVFQHHZEJ-JOXZBDCSSA-N- Molecular formula
- C39H65N13O14S
- Average molar mass
- 972.1 g/mol
- Monoisotopic mass
- 971.44946497
Names & identifiers
- Preferred name
- Somatostatin 25-(1-9)
- IUPAC
- (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]pentanedioic acid
- English name
- somatostatin 25-(1-9)
- Molecular formula
- C39H65N13O14S
- Molecular weight
- 972.0771
Names & synonyms
Somatostatin 25-(1-9)SS25(1-9)94152-60-0DTXSID60240809L-Glutamic acid, N-(N2-(1-(N-(N-(N-(1-(N2-L-seryl-L-asparaginyl)-L-prolyl)-L-alanyl)-L-methionyl)-L-alanyl)-L-prolyl)-L-arginyl)-, (9alpha,11alpha,13E,15S)-RefChem:184273DTXCID40163300L-Seryl-L-asparaginyl-L-prolyl-L-alanyl-L-methionyl-L-alanyl-L-prolyl-N~5~-(diaminomethylidene)-L-ornithyl-L-glutamic acid
Database identifiers
- CAS
94152-60-0- PubChem CID
- 5487929
- DTXSID
DTXSID60240809
Properties
Computed structural properties
- XLogP
- -8.1
- Topological polar surface area
- 469 Ų
- Hydrogen bond donors
- 13
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 28
- Heavy atoms
- 67
- Formal charge
- 0
- Complexity
- 1,850
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Compound notes
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